General Information of the Compound
| Compound ID |
CP0143940
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| Compound Name |
5-chloranyl-N-(2-ethoxyphenyl)-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C21H20ClN3O4S
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| Molecular Weight |
445.928
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| Canonical SMILES |
CCOc1ccccc1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1cccc(C)c1
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| InChI |
InChI=1S/C21H20ClN3O4S/c1-3-29-18-10-5-4-9-17(18)24-20(26)19-16(22)12-23-21(25-19)30(27,28)13-15-8-6-7-14(2)11-15/h4-12H,3,13H2,1-2H3,(H,24,26)
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| InChIKey |
WHIMNVXRVSWADG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8